Information card for entry 8106310

Structure parameters

• Formula: C22 H24 N2 O3
• Calculated formula: C22 H24 N2 O3
• Title of publication: Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3
• Authors of publication: Song, Ji-Dong; Wang, Li-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 823 - 824
• a: 15.333 ± 0.011 Å
• b: 14.146 ± 0.011 Å
• c: 17.64 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3826 ± 5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No